SCHEMBL30157738

SCHEMBL30157738

NC(=O)c1cccc2cn(-c3ccc(CNC4CCNCC4)cc3)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.68
PARP2 Q9UGN5 12/20 0.66
PARP3 Q9Y6F1 12/20 0.66
TNKS O95271 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60
DYRK1A Q13627 1/20 0.60
PARP15 Q460N3 1/20 0.60
PARP14 Q460N5 1/20 0.60
PARP10 Q53GL7 1/20 0.60
PARP12 Q9H0J9 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP4 Q9UKK3 1/20 0.60
DYRK1B Q9Y463 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30157461 0.94 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
Trifluoroacetic Acid SCHEMBL2266105 0.94 PARP1 (0.61) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL2266716 0.93 PARP1 (0.72) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL17764139 0.89 PARP1 (0.62) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL30157400 0.87 PARP1 (0.68) PARP1PARP2PARP3
SCHEMBL30157279 0.85 PARP1 (0.65) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL30875670 0.84 PARP1 (0.74) PARP1PARP2PARP3TNKSCHRM2
Trifluoroacetic Acid SCHEMBL2270624 0.84 PARP1 (0.61) PARP1PARP2PARP3
SCHEMBL30157293 0.84 PARP1 (0.69) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL2268210 0.84 PARP1 (0.62) PARP1PARP2PARP3TNKSCHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US claimed
EP-4112049-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2023-01-04 EP claimed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
EP-4112049-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2023-01-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 PARP1 2/4885PARP2 14/4885PARP3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.